UCSF

ZINC39328133

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.17 2.47 -11.9 2 5 0 71 287.344 0
Lo Low (pH 4.5-6) 2.17 2.85 -36.94 3 5 1 72 288.352 0

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )